Modeling the Orthosteric Binding Site of the G Protein-Coupled Odorant Receptor OR5K1.


Journal

Journal of chemical information and modeling
ISSN: 1549-960X
Titre abrégé: J Chem Inf Model
Pays: United States
ID NLM: 101230060

Informations de publication

Date de publication:
10 04 2023
Historique:
medline: 11 4 2023
pubmed: 26 1 2023
entrez: 25 1 2023
Statut: ppublish

Résumé

With approximately 400 encoding genes in humans, odorant receptors (ORs) are the largest subfamily of class A G protein-coupled receptors (GPCRs). Despite its high relevance and representation, the odorant-GPCRome is structurally poorly characterized: no experimental structures are available, and the low sequence identity of ORs to experimentally solved GPCRs is a significant challenge for their modeling. Moreover, the receptive range of most ORs is unknown. The odorant receptor OR5K1 was recently and comprehensively characterized in terms of cognate agonists. Here, we report two additional agonists and functional data of the most potent compound on two mutants, L104

Identifiants

pubmed: 36696962
doi: 10.1021/acs.jcim.2c00752
pmc: PMC10091413
doi:

Substances chimiques

Receptors, Odorant 0
Receptors, G-Protein-Coupled 0
GTP-Binding Proteins EC 3.6.1.-
Ligands 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

2014-2029

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Auteurs

Alessandro Nicoli (A)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.

Franziska Haag (F)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.

Patrick Marcinek (P)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.

Ruiming He (R)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.
Department of Chemistry, Technical University of Munich, 85748Garching, Germany.

Johanna Kreißl (J)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.

Jörg Stein (J)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.

Alessandro Marchetto (A)

Computational Biomedicine, Institute for Advanced Simulations (IAS)-5/Institute for Neuroscience and Medicine (INM)-9, Forschungszentrum Jülich, 52428Jülich, Germany.
Department of Biology, Faculty of Mathematics, Computer Science and Natural Sciences, RWTH Aachen University, 52074Aachen, Germany.

Andreas Dunkel (A)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.

Thomas Hofmann (T)

Chair of Food Chemistry and Molecular Sensory Science, Technical University of Munich, 85354Freising, Germany.

Dietmar Krautwurst (D)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.

Antonella Di Pizio (A)

Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354Freising, Germany.

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